CID 6479825

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-3-[(e)-3-hydroxyprop-1-enyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C27H47N3O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)/C=C/CO)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H47N3O9SSi2/c1-18-15-30(24(33)29(22(18)32)13-12-14-31)23-21(38-42(10,11)26(5,6)7)27(19(28)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h12-13,15,17,20-21,23,31H,14,16,28H2,1-11H3/b13-12+/t20-,21+,23-,27?/m1/s1
InChIKey
QOUIYVYOOWHXCY-WWVQLLLASA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3-[(E)-3-hydroxyprop-1-enyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

645.25714 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.26442 238.2
[M+Na]+ 668.24636 243.5
[M-H]- 644.24986 244.1
[M+NH4]+ 663.29096 243.1
[M+K]+ 684.22030 244.9
[M+H-H2O]+ 628.25440 236.6
[M+HCOO]- 690.25534 242.0
[M+CH3COO]- 704.27099 260.4
[M+Na-2H]- 666.23181 242.8
[M]+ 645.25659 249.9
[M]- 645.25769 249.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.